SCHEMBL5014108

SCHEMBL5014108

C=C(C)C(=O)OC(C)SCc1ccc(CSC(C)OC(=O)C(=C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.41
POLB P06746 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3138274 0.95 EPHX1 (0.38) EPHX1POLBALDH1A1CYP2C19CYP2C9
SCHEMBL1093413 0.92 L3MBTL1 (0.42) EPHX1POLBALDH1A1CYP2C9SMN1; SMN2
SCHEMBL5015462 0.84 TSHR (0.36) POLBALDH1A1SMN1; SMN2TSHR
SCHEMBL3128717 0.83 TSHR (0.35) TSHR
SCHEMBL671675 0.78 TSHR (0.45) ALDH1A1TSHR
SCHEMBL1695697 0.77 TSHR (0.44) ALDH1A1TSHR
SCHEMBL10427162 0.75 TSHR (0.42) EPHX1ALDH1A1TSHR
SCHEMBL10427135 0.75 TSHR (0.42) EPHX1ALDH1A1TSHR
SCHEMBL673042 0.74 TSHR (0.41) ALDH1A1TSHR
SCHEMBL8733208 0.74 TSHR (0.41) CYP2C9TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed
EP-0940694-B1 Photochromic curable composition TOKUYAMA CORP (JP) 2002-08-14 EP disclosed
US-6194511-B1 COMPRISING POLYMERIZABLE MONOMER CONTAINING SULFUR-CONTAINING (METH)ACRYLATE POLYMERIZABLE MONOMER AND PHOTOCHROMIC COMPOUND TOKUYAMA CORPORATION (JP) 2001-02-27 US disclosed
EP-0940694-A1 Photochromic curable composition TOKUYAMA CORPORATION (JP) 1999-09-08 EP disclosed